SCHEMBL6977795

SCHEMBL6977795

COc1ccc(C2C(c3ccccc3)N2S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.63
MAPT P10636 3/20 0.63
CA1 P00915 1/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
MMP2 P08253 1/20 0.49
RABGGTB P53611 1/20 0.48
RABGGTA Q92696 1/20 0.48
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6977791 1.00 LMNA (0.63) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL6977799 1.00 LMNA (0.63) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL11973569 0.88 MMP2 (0.59) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL6981947 0.88 MMP2 (0.59) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL11993568 0.81 LMNA (0.51) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL6981036 0.80 MMP2 (0.54) MAPTALDH1A1NPSR1MMP2SMN1; SMN2
SCHEMBL8471111 0.78 MMP2 (0.55) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL2600493 0.78 MMP2 (0.55) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL6081659 0.78 MMP2 (0.55) LMNAMAPTCA1ALDH1A1TSHR
SCHEMBL8471118 0.78 MMP2 (0.55) LMNAMAPTCA1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed